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CHEBI:80429 - Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside

Default Structure
ChEBI IDCHEBI:80429
ChEBI NamePeonidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Stars
DownloadsMolfile
FormulaC43H49O22
Net Charge+1
Average Mass917.843
Monoisotopic Mass917.27100
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](OC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
InChIInChI=1S/C43H48O22/c1-17-39(65-30(48)10-5-18-3-7-20(45)8-4-18)35(53)38(56)41(59-17)58-16-29-32(50)34(52)37(55)43(64-29)62-27-14-22-24(60-40(27)19-6-9-23(47)26(11-19)57-2)12-21(46)13-25(22)61-42-36(54)33(51)31(49)28(15-44)63-42/h3-14,17,28-29,31-39,41-44,49-56H,15-16H2,1-2H3,(H2-,45,46,47,48)/p+1/t17-,28+,29+,31+,32+,33-,34-,35-,36+,37+,38+,39-,41+,42+,43+/m0/s1
InChIKeyHSCDIYSCENTRGJ-KFKDDKPBSA-O
ChEBI Ontology
Outgoing Relation(s)
Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside (CHEBI:80429) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C16293KEGG COMPOUND